(2R)-1-[2-[2-(2-benzyl-4-chlorophenoxy)ethoxy]ethylamino]propan-2-ol

C20H26ClNO3 — CID 2231761

IUPAC(2R)-1-[2-[2-(2-benzyl-4-chlorophenoxy)ethoxy]ethylamino]propan-2-ol
SMILESC[C@@H](O)CNCCOCCOc1ccc(Cl)cc1Cc1ccccc1
InChIInChI=1S/C20H26ClNO3/c1-16(23)15-22-9-10-24-11-12-25-20-8-7-19(21)14-18(20)13-17-5-3-2-4-6-17/h2-8,14,16,22-23H,9-13,15H2,1H3/t16-/m1/s1
InChIKeyDZYDPEQZVALVKZ-MRXNPFEDSA-N
MW363.89 g/mol
LogP3.30
Rot. Bonds11

About (2R)-1-[2-[2-(2-benzyl-4-chlorophenoxy)ethoxy]ethylamino]propan-2-ol

(2R)-1-[2-[2-(2-benzyl-4-chlorophenoxy)ethoxy]ethylamino]propan-2-ol (PubChem CID 2231761) has the molecular formula C20H26ClNO3 and a molecular weight of 363.89 g/mol. Its IUPAC name is (2R)-1-[2-[2-(2-benzyl-4-chlorophenoxy)ethoxy]ethylamino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[2-[2-(2-benzyl-4-chlorophenoxy)ethoxy]ethylamino]propan-2-ol
PubChem CID2231761
Molecular FormulaC20H26ClNO3
Molecular Weight363.89 g/mol
Exact Mass363.16
IUPAC Name(2R)-1-[2-[2-(2-benzyl-4-chlorophenoxy)ethoxy]ethylamino]propan-2-ol
SMILESC[C@@H](O)CNCCOCCOc1ccc(Cl)cc1Cc1ccccc1
InChIInChI=1S/C20H26ClNO3/c1-16(23)15-22-9-10-24-11-12-25-20-8-7-19(21)14-18(20)13-17-5-3-2-4-6-17/h2-8,14,16,22-23H,9-13,15H2,1H3/t16-/m1/s1
InChIKeyDZYDPEQZVALVKZ-MRXNPFEDSA-N
XLogP3.30
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-[4-(2-benzyl-4-chlorophenoxy)butylamino]propan-2-ol
CID 2231726
(2R)-1-[2-(2-benzyl-4-methylphenoxy)ethylamino]propan-2-ol
CID 7374885
N-[2-(2-benzyl-4-chlorophenoxy)ethyl]propan-1-amine
CID 63516060
1-[2-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 17295476
1-(2-benzyl-4-chlorophenoxy)propan-2-one
CID 60626538
2-(2-benzyl-4-chlorophenoxy)-N-ethylacetamide
CID 9292846
N-[(5-chloro-2-phenylmethoxyphenyl)methyl]ethanamine
CID 4716552
2-[2-[2-(2-benzylphenoxy)ethylamino]ethoxy]ethanol
CID 2231870
4-(2-benzyl-4-chlorophenoxy)pentan-2-one
CID 64697546
4-chloro-2-(chloromethyl)-1-[2-(3-methylbutoxy)ethoxy]benzene
CID 63534668
(2R)-1-[2-(4-bromo-2-chlorophenoxy)ethylamino]propan-2-ol
CID 7375680
2-(2-benzyl-4-chlorophenoxy)pentan-3-one
CID 64866316

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-[2-(2-benzyl-4-chlorophenoxy)ethoxy]ethylamino]propan-2-ol?
The IUPAC name of (2R)-1-[2-[2-(2-benzyl-4-chlorophenoxy)ethoxy]ethylamino]propan-2-ol (CID 2231761) is (2R)-1-[2-[2-(2-benzyl-4-chlorophenoxy)ethoxy]ethylamino]propan-2-ol.
What is the SMILES notation for (2R)-1-[2-[2-(2-benzyl-4-chlorophenoxy)ethoxy]ethylamino]propan-2-ol?
The canonical SMILES for (2R)-1-[2-[2-(2-benzyl-4-chlorophenoxy)ethoxy]ethylamino]propan-2-ol is C[C@@H](O)CNCCOCCOc1ccc(Cl)cc1Cc1ccccc1.
What is the InChIKey of (2R)-1-[2-[2-(2-benzyl-4-chlorophenoxy)ethoxy]ethylamino]propan-2-ol?
The InChIKey is DZYDPEQZVALVKZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H26ClNO3/c1-16(23)15-22-9-10-24-11-12-25-20-8-7-19(21)14-18(20)13-17-5-3-2-4-6-17/h2-8,14,16,22-23H,9-13,15H2,1H3/t16-/m1/s1.
What are the key properties of (2R)-1-[2-[2-(2-benzyl-4-chlorophenoxy)ethoxy]ethylamino]propan-2-ol?
(2R)-1-[2-[2-(2-benzyl-4-chlorophenoxy)ethoxy]ethylamino]propan-2-ol has a molecular weight of 363.89 g/mol, XLogP of 3.30, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-[2-(2-benzyl-4-chlorophenoxy)ethoxy]ethylamino]propan-2-ol is sourced from PubChem (CID 2231761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).